(2S)-2-[(4R,5S)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(2-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:126717)

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CHEBI:126717 - (2S)-2-[(4R,5S)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(2-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

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ChEBI ID	CHEBI:126717
ChEBI Name	(2S)-2-[(4R,5S)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(2-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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Formula	C27H37N3O4S
Net Charge	0
Average Mass	499.677
Monoisotopic Mass	499.25048
SMILES	C[C@@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)Cc1ccccn1
InChI	InChI=1S/C27H37N3O4S/c1-20-16-30(21(2)19-31)35(32,33)27-13-12-23(22-9-5-4-6-10-22)15-25(27)34-26(20)18-29(3)17-24-11-7-8-14-28-24/h7-9,11-15,20-21,26,31H,4-6,10,16-19H2,1-3H3/t20-,21+,26-/m1/s1
InChIKey	QSEJYNGOCYTBNI-YZIHRLCOSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2S)-2-[(4R,5S)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(2-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:126717) is a aminoalkylpyridine (CHEBI:38198)

Manual Xrefs	Databases
LSM-38280	LINCS